%chk=000041279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041279

0 1
 O   -2.654700      -1.526800      0.4602000    
 N    1.122300      0.8471000     -0.5793000    
 N    3.847000      0.2020000     -1.4800000E-02
 N   -2.544900      0.2802000     -0.9863000    
 N   -8.724700      0.3209000      0.5488000    
 C    1.911900       1.689500      0.3275000    
 C    1.543900     -0.5533000     -0.4539000    
 C    3.404000       1.601900     -1.6000000E-03
 C    3.024100     -0.7162000     -0.8079000    
 C  -0.3052000      0.9811000     -0.2910000    
 C    5.212000     -5.7200000E-02  0.1521000    
 C   -1.122000      0.1607000      -1.284900    
 C    5.948500     -0.7366000     -0.8390000    
 C    5.891400      0.3530000       1.316700    
 C    7.308900     -0.9955000     -0.6721000    
 C    7.251800      9.4200000E-02   1.483400    
 C   -3.185300     -0.5887000     -0.1287000    
 C    7.960600     -0.5801000      0.4890000    
 C   -4.640700     -0.3496000      4.9800001E-02
 C   -5.453300      -1.411300      0.3887000    
 C   -5.133000      0.9266000     -0.1296000    
 C   -6.820000      -1.186900      0.5556000    
 C   -6.499500       1.151000      3.7300002E-02
 C   -7.343100      9.4099998E-02  0.3800000    
 H    1.748900       1.393900       1.372700    
 H    1.601800       2.737200      0.2322000    
 H    1.018800      -1.214300      -1.147200    
 H    1.363800     -0.9260000      0.5634000    
 H    3.601600       2.051800     -0.9832000    
 H    3.952100       2.193100      0.7410000    
 H    3.309100      -1.757600     -0.6117000    
 H    3.172500     -0.5196000      -1.877600    
 H  -0.5344000      0.6698000      0.7371000    
 H  -0.6062000       2.033300     -0.3771000    
 H  -0.9754000      0.5249000      -2.307700    
 H  -0.9016000     -0.9080000      -1.263900    
 H    5.477900      -1.064200      -1.762600    
 H    5.356900      0.8688000       2.111400    
 H   -3.053900      0.9927000      -1.497200    
 H    7.861700      -1.518000      -1.447400    
 H    7.758900      0.4150000       2.388700    
 H    9.019800     -0.7817000      0.6190000    
 H   -5.062800      -2.415500      0.5239000    
 H   -4.508100       1.783300     -0.3587000    
 H   -7.467200      -2.018900      0.8213000    
 H   -6.894300       2.155300     -9.4200000E-02
 H   -9.336900     -0.4450000      0.7966000    
 H   -9.104700       1.249400      0.4209000    


%chk=000041279-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041279

0 1
O -2.688805 -1.538865 -0.321302
N 1.145513 0.830922 -0.309464
N 3.946035 0.179438 0.075429
N -2.595426 0.680951 -0.988631
N -8.919792 -0.014110 0.602213
C 2.025103 1.717137 0.487684
C 1.586863 -0.574968 -0.137453
C 3.479693 1.584421 0.007130
C 3.038668 -0.761672 -0.611887
C -0.298302 1.020542 -0.037183
C 5.335003 -0.100511 0.127488
C -1.153657 0.617659 -1.265751
C 5.893723 -1.249601 -0.513623
C 6.228344 0.740650 0.862460
C 7.269684 -1.544642 -0.406613
C 7.601020 0.440123 0.953338
C -3.284746 -0.424367 -0.500092
C 8.140925 -0.706791 0.323775
C -4.746606 -0.249558 -0.217709
C -5.519072 -1.421750 0.000874
C -5.406207 1.006703 -0.134415
C -6.893866 -1.353490 0.268497
C -6.782741 1.092831 0.137735
C -7.554888 -0.090079 0.337761
H 1.977900 1.475433 1.580283
H 1.698124 2.764804 0.351292
H 0.931691 -1.243366 -0.722719
H 1.513691 -0.885194 0.935612
H 3.540255 1.956493 -1.041527
H 4.121615 2.225492 0.630368
H 3.342902 -1.795296 -0.372798
H 3.082120 -0.631813 -1.718329
H -0.645376 0.432469 0.845533
H -0.472502 2.089756 0.190633
H -0.908107 1.277123 -2.116702
H -0.921604 -0.421733 -1.553443
H 5.264238 -1.908468 -1.118170
H 5.848995 1.619724 1.392850
H -3.098246 1.543125 -1.194355
H 7.662466 -2.434217 -0.913477
H 8.253101 1.104488 1.532905
H 9.208550 -0.937292 0.400030
H -5.001266 -2.385638 -0.043981
H -4.850285 1.946060 -0.248550
H -7.468175 -2.274275 0.427974
H -7.267202 2.074489 0.206812
H -9.467580 -0.856245 0.753129
H -9.393474 0.882909 0.656070


